N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

C19H19N5OS — CID 46962980

IUPACN-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCc1ccn(CCNC(=O)Cn2c(-c3cccs3)cc3cccnc32)n1
InChIInChI=1S/C19H19N5OS/c1-14-6-9-23(22-14)10-8-20-18(25)13-24-16(17-5-3-11-26-17)12-15-4-2-7-21-19(15)24/h2-7,9,11-12H,8,10,13H2,1H3,(H,20,25)
InChIKeyOVNBJWOCMTXRQQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.09
Rot. Bonds6

About N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (PubChem CID 46962980) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
PubChem CID46962980
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESCc1ccn(CCNC(=O)Cn2c(-c3cccs3)cc3cccnc32)n1
InChIInChI=1S/C19H19N5OS/c1-14-6-9-23(22-14)10-8-20-18(25)13-24-16(17-5-3-11-26-17)12-15-4-2-7-21-19(15)24/h2-7,9,11-12H,8,10,13H2,1H3,(H,20,25)
InChIKeyOVNBJWOCMTXRQQ-UHFFFAOYSA-N
XLogP3.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16676126
N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 46962969
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16672682
N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)propyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 51495694
2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46966503
N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907262
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16676186
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(3-methylpyrazol-1-yl)ethyl]acetamide
CID 46963920
N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 121272818
1-thiophen-2-yl-3-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 71808177
2-ethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]butanamide
CID 121139809
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (CID 46962980) is N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is Cc1ccn(CCNC(=O)Cn2c(-c3cccs3)cc3cccnc32)n1.
What is the InChIKey of N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The InChIKey is OVNBJWOCMTXRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-14-6-9-23(22-14)10-8-20-18(25)13-24-16(17-5-3-11-26-17)12-15-4-2-7-21-19(15)24/h2-7,9,11-12H,8,10,13H2,1H3,(H,20,25).
What are the key properties of N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide has a molecular weight of 365.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrazol-1-yl)ethyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 46962980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).